| SpectraBase Compound ID | 79oAmMSug3n |
|---|---|
| InChI | InChI=1S/C21H32O14/c22-4-7-3-9(24)8-1-2-31-19(12(7)8)35-21-18(30)16(28)14(26)11(34-21)6-32-20-17(29)15(27)13(25)10(5-23)33-20/h1-3,8-30H,4-6H2/t8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18-,19-,20-,21+/m0/s1 |
| InChIKey | NOVFAHFRCMKDBE-SFGHNJOHSA-N |
| Mol Weight | 508.5 g/mol |
| Molecular Formula | C21H32O14 |
| Exact Mass | 508.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2C9mCryJdDt |
|---|---|
| Name | ACUBIGENIN-1-O-BETA-GENTIOBIOSIDE;6'-O-GLUCOPYRANOSYLAUCUBIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O14 |
| InChI | InChI=1S/C21H32O14/c22-4-7-3-9(24)8-1-2-31-19(12(7)8)35-21-18(30)16(28)14(26)11(34-21)6-32-20-17(29)15(27)13(25)10(5-23)33-20/h1-3,8-30H,4-6H2/t8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18-,19-,20-,21+/m0/s1 |
| InChIKey | NOVFAHFRCMKDBE-SFGHNJOHSA-N |
| Literature Reference Author | B.GRABIAS,S.OFTERDINGER-DAEGEL,L.SWIATEK,A.KUROWSKA |
| Literature Reference Citation | PHYTOCHEM.,32,1489(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85164-M |
| Molecular Weight | 508.477 g/mol |
| Solvent | D2O:CD3OD=1:4 |
| Source File Reference | UWLU6589 |